3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid

C15H20N2O2 — CID 83944293

IUPAC3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
SMILESCc1c(CCN)c2cc(C(=O)O)ccc2n1C(C)C
InChIInChI=1S/C15H20N2O2/c1-9(2)17-10(3)12(6-7-16)13-8-11(15(18)19)4-5-14(13)17/h4-5,8-9H,6-7,16H2,1-3H3,(H,18,19)
InChIKeyLMHPZEOQICHQDQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.73
Rot. Bonds4

About 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid

3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid (PubChem CID 83944293) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
PubChem CID83944293
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
SMILESCc1c(CCN)c2cc(C(=O)O)ccc2n1C(C)C
InChIInChI=1S/C15H20N2O2/c1-9(2)17-10(3)12(6-7-16)13-8-11(15(18)19)4-5-14(13)17/h4-5,8-9H,6-7,16H2,1-3H3,(H,18,19)
InChIKeyLMHPZEOQICHQDQ-UHFFFAOYSA-N
XLogP2.73
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminopropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
CID 83944292
3-(3-hydroxypropyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid
CID 83944291
2,3-dimethyl-1-propan-2-ylindole-5-carboxylic acid
CID 83944287
3-(2-aminoethyl)-2,6-dimethyl-1-propan-2-ylindole-7-carboxylic acid
CID 83964746
3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid
CID 83963643
1-(3-aminopropyl)-2-methyl-3-propylindole-5-carboxylic acid
CID 83944551
1,3-dibutyl-2-methylindole-5-carboxylic acid
CID 83944299
(5-methoxy-2-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 83860104
1-(2-hydroxyethyl)-3-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid
CID 83944682
3-(2-aminoethyl)-1-propan-2-ylindole-6-carboxylic acid
CID 83946617
2,5-dimethyl-1-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83947123
3-(hydroxymethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175803

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid (CID 83944293) is 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid is Cc1c(CCN)c2cc(C(=O)O)ccc2n1C(C)C.
What is the InChIKey of 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid?
The InChIKey is LMHPZEOQICHQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)17-10(3)12(6-7-16)13-8-11(15(18)19)4-5-14(13)17/h4-5,8-9H,6-7,16H2,1-3H3,(H,18,19).
What are the key properties of 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid?
3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-5-carboxylic acid is sourced from PubChem (CID 83944293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).